N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine

C12H10ClN5 — CID 88890559

IUPACN-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
SMILESClc1nccc(NCc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H10ClN5/c13-12-14-4-3-11(18-12)15-6-8-1-2-9-10(5-8)17-7-16-9/h1-5,7H,6H2,(H,16,17)(H,14,15,18)
InChIKeyAWOOEZFFIPASNL-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.62
Rot. Bonds3

About N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine

N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine (PubChem CID 88890559) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
PubChem CID88890559
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC NameN-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine
SMILESClc1nccc(NCc2ccc3nc[nH]c3c2)n1
InChIInChI=1S/C12H10ClN5/c13-12-14-4-3-11(18-12)15-6-8-1-2-9-10(5-8)17-7-16-9/h1-5,7H,6H2,(H,16,17)(H,14,15,18)
InChIKeyAWOOEZFFIPASNL-UHFFFAOYSA-N
XLogP2.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-chloropyrimidin-4-yl)-1H-benzimidazole
CID 116904383
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
N-[(4-amino-3-methanimidoylphenyl)methyl]-2-chloropyrimidin-4-amine
CID 163891313
6-(3H-benzimidazol-5-ylmethylamino)pyrimidine-4-carbonitrile
CID 115142943
2-chloro-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-4-amine
CID 62342670
(3H-benzimidazol-5-ylmethylamino)methanethiol
CID 115227972
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
[5-(3H-benzimidazol-5-ylmethylamino)quinolin-2-yl]azanide;carbanide;yttrium
CID 59551873
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
N-(3H-benzimidazol-5-ylmethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 126836079
[4-[(3H-benzimidazol-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213218
2-(3H-benzimidazol-5-ylmethylamino)ethanethiol
CID 115223998

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine?
The IUPAC name of N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine (CID 88890559) is N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine is Clc1nccc(NCc2ccc3nc[nH]c3c2)n1.
What is the InChIKey of N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine?
The InChIKey is AWOOEZFFIPASNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c13-12-14-4-3-11(18-12)15-6-8-1-2-9-10(5-8)17-7-16-9/h1-5,7H,6H2,(H,16,17)(H,14,15,18).
What are the key properties of N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine?
N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine has a molecular weight of 259.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-ylmethyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 88890559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).