N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide

C16H22ClN5O2 — CID 119068891

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NCc1nc2ccc(Cl)cc2[nH]1)N1CCN(CCCO)CC1
InChIInChI=1S/C16H22ClN5O2/c17-12-2-3-13-14(10-12)20-15(19-13)11-18-16(24)22-7-5-21(6-8-22)4-1-9-23/h2-3,10,23H,1,4-9,11H2,(H,18,24)(H,19,20)
InChIKeyQLXDFMZGWZIJBM-UHFFFAOYSA-N
MW351.84 g/mol
LogP1.43
Rot. Bonds5

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide (PubChem CID 119068891) has the molecular formula C16H22ClN5O2 and a molecular weight of 351.84 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide
PubChem CID119068891
Molecular FormulaC16H22ClN5O2
Molecular Weight351.84 g/mol
Exact Mass351.15
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide
SMILESO=C(NCc1nc2ccc(Cl)cc2[nH]1)N1CCN(CCCO)CC1
InChIInChI=1S/C16H22ClN5O2/c17-12-2-3-13-14(10-12)20-15(19-13)11-18-16(24)22-7-5-21(6-8-22)4-1-9-23/h2-3,10,23H,1,4-9,11H2,(H,18,24)(H,19,20)
InChIKeyQLXDFMZGWZIJBM-UHFFFAOYSA-N
XLogP1.43
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide (CID 119068891) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide is O=C(NCc1nc2ccc(Cl)cc2[nH]1)N1CCN(CCCO)CC1.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide?
The InChIKey is QLXDFMZGWZIJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O2/c17-12-2-3-13-14(10-12)20-15(19-13)11-18-16(24)22-7-5-21(6-8-22)4-1-9-23/h2-3,10,23H,1,4-9,11H2,(H,18,24)(H,19,20).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-4-(3-hydroxypropyl)piperazine-1-carboxamide is sourced from PubChem (CID 119068891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).