2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole

C16H15ClN4 — CID 77091645

IUPAC2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
SMILESClc1cnccc1CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H15ClN4/c17-13-7-18-6-5-11(13)8-21-9-12(10-21)16-19-14-3-1-2-4-15(14)20-16/h1-7,12H,8-10H2,(H,19,20)
InChIKeyNVWCMKVZYZXZLK-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.21
Rot. Bonds3

About 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole

2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole (PubChem CID 77091645) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
PubChem CID77091645
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole
SMILESClc1cnccc1CN1CC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C16H15ClN4/c17-13-7-18-6-5-11(13)8-21-9-12(10-21)16-19-14-3-1-2-4-15(14)20-16/h1-7,12H,8-10H2,(H,19,20)
InChIKeyNVWCMKVZYZXZLK-UHFFFAOYSA-N
XLogP3.21
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326
2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
5-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]-3-pyridin-4-yl-1,2-oxazole
CID 91838639
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
3-[4-[[3-(1H-benzimidazol-2-yl)azetidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 77083335
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
2-(1-pent-4-ynylazetidin-3-yl)-1H-benzimidazole
CID 148699034
(1S)-2-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-phenylethanol
CID 124756300
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
[(3S)-3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 51137015

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole (CID 77091645) is 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole is Clc1cnccc1CN1CC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole?
The InChIKey is NVWCMKVZYZXZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-13-7-18-6-5-11(13)8-21-9-12(10-21)16-19-14-3-1-2-4-15(14)20-16/h1-7,12H,8-10H2,(H,19,20).
What are the key properties of 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole?
2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole has a molecular weight of 298.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-chloro-4-pyridinyl)methyl]azetidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 77091645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).