2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole

C19H21N5 — CID 70759993

IUPAC2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCCN(c4ncnc5c4CCC5)C3)nc2c1
InChIInChI=1S/C19H21N5/c1-2-8-17-16(7-1)22-18(23-17)13-5-4-10-24(11-13)19-14-6-3-9-15(14)20-12-21-19/h1-2,7-8,12-13H,3-6,9-11H2,(H,22,23)
InChIKeyVMGXRQCSGCPQRL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.23
Rot. Bonds2

About 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole

2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole (PubChem CID 70759993) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole
PubChem CID70759993
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCCN(c4ncnc5c4CCC5)C3)nc2c1
InChIInChI=1S/C19H21N5/c1-2-8-17-16(7-1)22-18(23-17)13-5-4-10-24(11-13)19-14-6-3-9-15(14)20-12-21-19/h1-2,7-8,12-13H,3-6,9-11H2,(H,22,23)
InChIKeyVMGXRQCSGCPQRL-UHFFFAOYSA-N
XLogP3.23
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-7-chloroquinazoline
CID 24606917
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one
CID 135966354
5-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 70711680
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 95882779
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 70734824
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
4-(3-bromopyrrolidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80669009
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole (CID 70759993) is 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole is c1ccc2[nH]c(C3CCCN(c4ncnc5c4CCC5)C3)nc2c1.
What is the InChIKey of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole?
The InChIKey is VMGXRQCSGCPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-8-17-16(7-1)22-18(23-17)13-5-4-10-24(11-13)19-14-6-3-9-15(14)20-12-21-19/h1-2,7-8,12-13H,3-6,9-11H2,(H,22,23).
What are the key properties of 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole?
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole has a molecular weight of 319.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 70759993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).