1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea

C18H15FN6OS — CID 154654159

IUPAC1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cn[nH]c1-c1nc2c(-c3ccc(F)s3)cccc2[nH]1)NC1CC1
InChIInChI=1S/C18H15FN6OS/c19-14-7-6-13(27-14)10-2-1-3-11-15(10)24-17(22-11)16-12(8-20-25-16)23-18(26)21-9-4-5-9/h1-3,6-9H,4-5H2,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyITEYTGJOBFVWAP-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.10
Rot. Bonds4

About 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea

1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea (PubChem CID 154654159) has the molecular formula C18H15FN6OS and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
PubChem CID154654159
Molecular FormulaC18H15FN6OS
Molecular Weight382.42 g/mol
Exact Mass382.10
IUPAC Name1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea
SMILESO=C(Nc1cn[nH]c1-c1nc2c(-c3ccc(F)s3)cccc2[nH]1)NC1CC1
InChIInChI=1S/C18H15FN6OS/c19-14-7-6-13(27-14)10-2-1-3-11-15(10)24-17(22-11)16-12(8-20-25-16)23-18(26)21-9-4-5-9/h1-3,6-9H,4-5H2,(H,20,25)(H,22,24)(H2,21,23,26)
InChIKeyITEYTGJOBFVWAP-UHFFFAOYSA-N
XLogP4.10
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524982
1-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-N-[(2-phenyltriazol-4-yl)methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524992
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136214368
5-pyridin-3-yl-3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136214375
N-[5-[3-(4-thiophen-2-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137109154
5-[3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109241
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 138961956
3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 138961957
N-[5-[3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 138961958
(E)-2-(1H-benzimidazol-2-yl)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 6081132
2-methyl-N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide
CID 136214369
N-[5-[3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 136214372

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea (CID 154654159) is 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea is O=C(Nc1cn[nH]c1-c1nc2c(-c3ccc(F)s3)cccc2[nH]1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?
The InChIKey is ITEYTGJOBFVWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS/c19-14-7-6-13(27-14)10-2-1-3-11-15(10)24-17(22-11)16-12(8-20-25-16)23-18(26)21-9-4-5-9/h1-3,6-9H,4-5H2,(H,20,25)(H,22,24)(H2,21,23,26).
What are the key properties of 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea?
1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 382.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[5-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 154654159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).